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	hartrees
Energy at 0K	-194.195113
Energy at 298.15K	-194.204097
HF Energy	-194.195113
Nuclear repulsion energy	134.043031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3015	27.46
2	A'	3139	3014	22.87
3	A'	3061	2939	16.07
4	A'	2987	2867	86.76
5	A'	2969	2851	39.48
6	A'	1531	1470	2.84
7	A'	1503	1443	3.73
8	A'	1497	1437	7.16
9	A'	1477	1418	0.88
10	A'	1433	1376	35.05
11	A'	1396	1341	1.11
12	A'	1243	1193	49.98
13	A'	1183	1135	139.98
14	A'	1123	1078	4.73
15	A'	1053	1011	20.39
16	A'	879	844	11.60
17	A'	470	452	0.56
18	A'	289	278	2.84
19	A"	3143	3018	25.31
20	A"	3033	2912	59.57
21	A"	2998	2878	69.69
22	A"	1480	1421	12.90
23	A"	1479	1420	2.22
24	A"	1303	1251	1.87
25	A"	1199	1151	9.25
26	A"	1167	1121	0.22
27	A"	826	793	0.42
28	A"	266	256	2.10
29	A"	213	205	1.44
30	A"	117	113	3.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.308	1.238	0.000
O2	0.009	0.711	0.000
C3	0.000	-0.697	0.000
C4	-1.429	-1.177	0.000
H5	1.223	2.325	0.000
H6	1.872	0.927	0.891
H7	1.872	0.927	-0.891
H8	0.534	-1.076	-0.886
H9	0.534	-1.076	0.886
H10	-1.464	-2.269	0.000
H11	-1.956	-0.815	0.885
H12	-1.956	-0.815	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4015	2.3352	3.6502	1.0900	1.0996	1.0996	2.5957	2.5957	4.4698	3.9560	3.9560
O2	1.4015		1.4082	2.3738	2.0193	2.0768	2.0768	2.0630	2.0630	3.3243	2.6408	2.6408
C3	2.3352	1.4082		1.5078	3.2597	2.6337	2.6337	1.1017	1.1017	2.1481	2.1501	2.1501
C4	3.6502	2.3738	1.5078		4.3931	4.0153	4.0153	2.1563	2.1563	1.0923	1.0915	1.0915
H5	1.0900	2.0193	3.2597	4.3931		1.7799	1.7799	3.5812	3.5812	5.3218	4.5552	4.5552
H6	1.0996	2.0768	2.6337	4.0153	1.7799		1.7817	2.9933	2.4092	4.7051	4.2063	4.5656
H7	1.0996	2.0768	2.6337	4.0153	1.7799	1.7817		2.4092	2.9933	4.7051	4.5656	4.2063
H8	2.5957	2.0630	1.1017	2.1563	3.5812	2.9933	2.4092		1.7712	2.4897	3.0665	2.5040
H9	2.5957	2.0630	1.1017	2.1563	3.5812	2.4092	2.9933	1.7712		2.4897	2.5040	3.0665
H10	4.4698	3.3243	2.1481	1.0923	5.3218	4.7051	4.7051	2.4897	2.4897		1.7717	1.7717
H11	3.9560	2.6408	2.1501	1.0915	4.5552	4.2063	4.5656	3.0665	2.5040	1.7717		1.7693
H12	3.9560	2.6408	2.1501	1.0915	4.5552	4.5656	4.2063	2.5040	3.0665	1.7717	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.427	O2	C1	H5	107.628
O2	C1	H6	111.698	O2	C1	H7	111.698
O2	C3	C4	108.941	O2	C3	H8	109.962
O2	C3	H9	109.962	C3	C4	H10	110.392
C3	C4	H11	110.599	C3	C4	H12	110.599
C4	C3	H8	110.480	C4	C3	H9	110.480
H5	C1	H6	108.758	H5	C1	H7	108.758
H6	C1	H7	108.226	H8	C3	H9	107.002
H10	C4	H11	108.442	H10	C4	H12	108.442
H11	C4	H12	108.292

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)

using model chemistry: HSEh1PBE/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.211
2	O	-0.253
3	C	-0.087
4	C	-0.330
5	H	0.136
6	H	0.100
7	H	0.100
8	H	0.092
9	H	0.092
10	H	0.111
11	H	0.124
12	H	0.124

	x	y	z	Total
	1.019	-0.746	0.000	1.263
CHELPG
AIM
ESP

	x	y	z
x	6.526	0.679	0.000
y	0.679	6.547	0.000
z	0.000	0.000	5.786

<r²>	102.772
(<r²>)^1/2	10.138

All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)